Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29410421 | 0.82 | CES1 (0.53) | CES1CA1CA2TDP1ALDH1A1 | |
| SCHEMBL1398000 | 0.79 | CES1 (0.64) | CES1CA1CA2TDP1ALDH1A1 | |
| SCHEMBL10940236 | 0.79 | CES1 (0.64) | CES1CA1CA2TDP1ALDH1A1 | |
| SCHEMBL9322098 | 0.77 | TSHR (0.63) | CES1CA1CA2TDP1ALDH1A1 | |
| SCHEMBL16925496 | 0.77 | TDP1 (0.65) | CES1CA1CA2TDP1ALDH1A1 | |
| SCHEMBL8370241 | 0.75 | ALDH1A1 (0.67) | CES1CA1CA2TDP1ALDH1A1 | |
| SCHEMBL9322101 | 0.75 | MAPK1 (0.67) | CES1CA1CA2TDP1ALDH1A1 | |
| SCHEMBL28765834 | 0.75 | CES1 (0.59) | CES1CA1CA2TDP1ALDH1A1 | |
| SCHEMBL26730194 | 0.75 | CES1 (0.59) | CES1CA1CA2TDP1ALDH1A1 | |
| SCHEMBL21387797 | 0.74 | ALDH1A1 (0.70) | CES1CA1CA2TDP1ALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5250517-A | Hypotensive and cardiotonic agents; cardiac insufficiency | HOFFMANN-LA ROCHE INC. (US) | 1993-10-05 | — | — | US | claimed |